COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.403   0.965  -0.232  1.00  0.00           O  
HETATM    2  OXT UNL     1      -7.834  -2.745   0.098  1.00  0.00           O  
HETATM    3  O   UNL     1      -5.739  -3.436   0.218  1.00  0.00           O  
HETATM    4  O   UNL     1      -2.635   1.715   1.765  1.00  0.00           O  
HETATM    5  C   UNL     1       6.902   0.604  -0.676  1.00  0.00           C  
HETATM    6  C   UNL     1       6.081  -0.558  -0.306  1.00  0.00           C  
HETATM    7  O   UNL     1       6.376   1.677  -0.882  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.990   2.023   0.783  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.302   3.315   0.596  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.197   4.450   1.402  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.473   5.539   0.964  1.00  0.00           C  
HETATM   12  C   UNL     1       0.149   5.513  -0.272  1.00  0.00           C  
HETATM   13  C   UNL     1       0.049   4.391  -1.078  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.670   3.299  -0.650  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.970   1.954  -1.263  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.795   1.233  -0.287  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.321  -0.124  -0.452  1.00  0.00           C  
HETATM   18  C   ACE A   0      -3.827  -0.090  -0.395  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.533  -1.230  -0.524  1.00  0.00           N  
HETATM   20  CA  UNL     1      -5.996  -1.197  -0.468  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.513  -2.541  -0.026  1.00  0.00           C  
HETATM   22  CB  UNL     1      -6.552  -0.868  -1.855  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.788  -1.018   0.669  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.293  -1.152   0.537  1.00  0.00           C  
HETATM   25  C   UNL     1       0.243  -2.174  -0.226  1.00  0.00           C  
HETATM   26  C   UNL     1       1.611  -2.300  -0.350  1.00  0.00           C  
HETATM   27  C   UNL     1       0.538  -0.249   1.175  1.00  0.00           C  
HETATM   28  C   UNL     1       1.908  -0.366   1.058  1.00  0.00           C  
HETATM   29  C   UNL     1       2.454  -1.397   0.295  1.00  0.00           C  
HETATM   30  C   UNL     1       3.926  -1.529   0.166  1.00  0.00           C  
HETATM   31  C   UNL     1       4.541  -2.763   0.395  1.00  0.00           C  
HETATM   32  F   UNL     1       3.794  -3.835   0.735  1.00  0.00           F  
HETATM   33  C   UNL     1       5.916  -2.887   0.280  1.00  0.00           C  
HETATM   34  C   UNL     1       6.686  -1.798  -0.067  1.00  0.00           C  
HETATM   35  C   UNL     1       4.695  -0.426  -0.184  1.00  0.00           C  
HETATM   36  C   UNL     1       8.397   0.461  -0.800  1.00  0.00           C  
HETATM   37  HXT UNL     1      -8.118  -3.624   0.384  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.682   4.475   2.367  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.392   6.417   1.587  1.00  0.00           H  
HETATM   40  H   UNL     1       0.714   6.369  -0.609  1.00  0.00           H  
HETATM   41  H   UNL     1       0.535   4.373  -2.042  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.516   2.083  -2.198  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.044   1.409  -1.442  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.004  -0.522  -1.416  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.072  -2.074  -0.655  1.00  0.00           H  
HETATM   46  HA  UNL     1      -6.315  -0.433   0.242  1.00  0.00           H  
HETATM   47  HB1 UNL     1      -7.641  -0.842  -1.813  1.00  0.00           H  
HETATM   48  HB2 UNL     1      -6.179   0.105  -2.175  1.00  0.00           H  
HETATM   49  HB3 UNL     1      -6.234  -1.631  -2.565  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.030  -0.573   1.634  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.249  -2.003   0.598  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.411  -2.873  -0.725  1.00  0.00           H  
HETATM   53  H   UNL     1       2.029  -3.099  -0.945  1.00  0.00           H  
HETATM   54  H   UNL     1       0.114   0.550   1.766  1.00  0.00           H  
HETATM   55  H   UNL     1       2.556   0.340   1.556  1.00  0.00           H  
HETATM   56  H   UNL     1       6.386  -3.843   0.458  1.00  0.00           H  
HETATM   57  H   UNL     1       7.757  -1.901  -0.155  1.00  0.00           H  
HETATM   58  H   UNL     1       4.223   0.529  -0.362  1.00  0.00           H  
HETATM   59  H   UNL     1       8.863   0.669   0.163  1.00  0.00           H  
HETATM   60  H   UNL     1       8.641  -0.555  -1.109  1.00  0.00           H  
HETATM   61  H   UNL     1       8.769   1.166  -1.543  1.00  0.00           H  
CONECT    1   18   18                                                 
CONECT    2   21   37                                                 
CONECT    3   21   21                                                 
CONECT    4    8    8                                                 
CONECT    5    6    7    7   36                                       
CONECT    6   35   35   34    5                                       
CONECT    7    5    5                                                 
CONECT    8    9    4    4   16                                       
CONECT    9   10   10   14    8                                       
CONECT   10   11    9    9   38                                       
CONECT   11   12   12   10   39                                       
CONECT   12   11   11   13   40                                       
CONECT   13   12   14   14   41                                       
CONECT   14   13   13    9   15                                       
CONECT   15   14   16   42   43                                       
CONECT   16    8   15   17                                            
CONECT   17   16   23   18   44                                       
CONECT   18   17    1    1   19                                       
CONECT   19   18   20   45                                            
CONECT   20   19   22   21   46                                       
CONECT   21   20    3    3    2                                       
CONECT   22   20   47   48   49                                       
CONECT   23   17   24   50   51                                       
CONECT   24   23   27   27   25                                       
CONECT   25   24   26   26   52                                       
CONECT   26   25   25   29   53                                       
CONECT   27   24   24   28   54                                       
CONECT   28   27   29   29   55                                       
CONECT   29   28   28   26   30                                       
CONECT   30   29   31   31   35                                       
CONECT   31   32   30   30   33                                       
CONECT   32   31                                                      
CONECT   33   31   34   34   56                                       
CONECT   34   33   33    6   57                                       
CONECT   35   30    6    6   58                                       
CONECT   36    5   59   60   61                                       
CONECT   37    2                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   17                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   33                                                      
CONECT   57   34                                                      
CONECT   58   35                                                      
CONECT   59   36                                                      
CONECT   60   36                                                      
CONECT   61   36                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
